CID 2826256

18584-64-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCO

InChI

InChI=1S/C10H10N2O2/c13-6-5-12-10(14)9-4-2-1-3-8(9)7-11-12/h1-4,7,13H,5-6H2

InChIKey

VEHGYXGNHSATKP-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethyl)phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 190.07423 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.08151	138.1
[M+Na]+	213.06345	148.2
[M-H]-	189.06695	139.1
[M+NH4]+	208.10805	155.7
[M+K]+	229.03739	144.4
[M+H-H2O]+	173.07149	130.8
[M+HCOO]-	235.07243	158.7
[M+CH3COO]-	249.08808	180.2
[M+Na-2H]-	211.04890	147.2
[M]+	190.07368	139.2
[M]-	190.07478	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe